N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide

C23H19ClN2O3 — CID 6488709

IUPACN-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2c(c1)OCC(=O)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2O3/c24-18-8-6-17(7-9-18)14-26-20-11-10-19(13-21(20)29-15-23(26)28)25-22(27)12-16-4-2-1-3-5-16/h1-11,13H,12,14-15H2,(H,25,27)
InChIKeyUBELBVJTWUBHSK-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.45
Rot. Bonds5

About N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide

N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide (PubChem CID 6488709) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide
PubChem CID6488709
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC NameN-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2c(c1)OCC(=O)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2O3/c24-18-8-6-17(7-9-18)14-26-20-11-10-19(13-21(20)29-15-23(26)28)25-22(27)12-16-4-2-1-3-5-16/h1-11,13H,12,14-15H2,(H,25,27)
InChIKeyUBELBVJTWUBHSK-UHFFFAOYSA-N
XLogP4.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[7-[[2-(2-chlorophenyl)acetyl]amino]-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]benzoic acid
CID 156781366
2-[4-[[7-[[2-(3-fluorophenyl)acetyl]amino]-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]benzoic acid
CID 156781373
N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)thiophene-2-carboxamide
CID 3231761
1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(1H-indol-6-yl)urea
CID 156828159
1-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-3-(4-phenylcyclohexyl)urea
CID 156827900
4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide
CID 6488701
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-fluorophenyl)acetamide
CID 16926873
N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-(4-fluorophenyl)acetamide
CID 42801683
2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110778138
1-tert-butyl-3-[4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]urea
CID 170748157
N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 142663321
4-[(4-chlorophenyl)methyl]-6-hydroxy-1,4-benzoxazin-3-one
CID 82063378

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide?
The IUPAC name of N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide (CID 6488709) is N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc2c(c1)OCC(=O)N2Cc1ccc(Cl)cc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide?
The InChIKey is UBELBVJTWUBHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c24-18-8-6-17(7-9-18)14-26-20-11-10-19(13-21(20)29-15-23(26)28)25-22(27)12-16-4-2-1-3-5-16/h1-11,13H,12,14-15H2,(H,25,27).
What are the key properties of N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide?
N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide has a molecular weight of 406.87 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide is sourced from PubChem (CID 6488709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).